Chemical ID: 6299448

c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O
Chemical ID:
6299448
Name [?]:
5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylic acid
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)OCc2ccc(o2)C(=O)O
InChi [?]:
InChI=1/C12H8Cl2O4/c13-8-2-1-3-9(11(8)14)17-6-7-4-5-10(18-7)12(15)16/h1-5H,6H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,6,2,12,13,10,11,5,3,14,4,16,7,8,17,18,9,15/E:(15,16)/rA:18nCCCCCCClClOCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;s10;d11;s12;d13;s11s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8Cl2O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.5972
Area:465.283
Solvation:-4.03489
Coulombic:-44.7104
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.095
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.22
LogP (Chemaxon):2.83

Name Annotations

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Descriptor Annotations

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